Pyrrolo(3,2-f)(1,3)benzoxazine-9-carboxylic acid, 1,2,3,7-tetrahydro-2-(2-(diethylamino)ethyl)-8-methyl-, 1-methylethyl ester
TL;DR: Pyrrolo(3,2-f)(1,3)benzoxazine-9-carboxylic acid, 1,2,3,7-tetrahydro-2-(2-(diethylamino)ethyl)-8-methyl-, 1-methylethyl ester (CAS 54436-12-3) is a chemical compound with molecular formula C21H31N3O3 and molecular weight 373.23654 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
propan-2-yl 2-[2-(diethylamino)ethyl]-8-methyl-3,7-dihydro-1H-pyrrolo[3,2-f][1,3]benzoxazine-9-carboxylate
Also Known As: Pyrrolo(3,2-f)(1,3)benzoxazine-9-carboxylic acid, 1,2,3,7-tetrahydro-2-(2-(diethylamino)ethyl)-8-methyl-, 1-methylethyl ester, propan-2-yl 2-(2-diethylaminoethyl)-8-methyl-3,7-dihydro-1H-pyrrolo[3,2-f][1,3]benzoxazine-9-carboxylate, Propan-2-yl 2-[2-(diethylamino)ethyl]-8-methyl-1,2,3,7-tetrahydro[1,3]oxazino[5,6-e]indole-9-carboxylate
Technical Specifications
| Molecular Formula | C21H31N3O3 |
| Molecular Weight | 373.23654 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 57.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 373.23654 Da |
| Heavy Atoms | 27 |
| Complexity | 497.0 |
| SMILES | CCN(CC)CCN1CC2=C(C=CC3=C2C(=C(N3)C)C(=O)OC(C)C)OC1 |
| InChIKey | FDWFODXKKXEUJW-UHFFFAOYSA-N |
Chemical Property Profile of Pyrrolo(3,2-f)(1,3)benzoxazine-9-carboxylic acid, 1,2,3,7-tetrahydro-2-(2-(diethylamino)ethyl)-8-methyl-, 1-methylethyl ester
Property Insights of Pyrrolo(3,2-f)(1,3)benzoxazine-9-carboxylic acid, 1,2,3,7-tetrahydro-2-(2-(diethylamino)ethyl)-8-methyl-, 1-methylethyl ester
The XLogP value of 3.6 indicates that Pyrrolo(3,2-f)(1,3)benzoxazine-9-carboxylic acid, 1,2,3,7-tetrahydro-2-(2-(diethylamino)ethyl)-8-methyl-, 1-methylethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.8 Ų, Pyrrolo(3,2-f)(1,3)benzoxazine-9-carboxylic acid, 1,2,3,7-tetrahydro-2-(2-(diethylamino)ethyl)-8-methyl-, 1-methylethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrrolo(3,2-f)(1,3)benzoxazine-9-carboxylic acid, 1,2,3,7-tetrahydro-2-(2-(diethylamino)ethyl)-8-methyl-, 1-methylethyl ester has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Pyrrolo(3,2-f)(1,3)benzoxazine-9-carboxylic acid, 1,2,3,7-tetrahydro-2-(2-(diethylamino)ethyl)-8-methyl-, 1-methylethyl ester?
The CAS number of Pyrrolo(3,2-f)(1,3)benzoxazine-9-carboxylic acid, 1,2,3,7-tetrahydro-2-(2-(diethylamino)ethyl)-8-methyl-, 1-methylethyl ester is 54436-12-3.
What is the molecular formula of Pyrrolo(3,2-f)(1,3)benzoxazine-9-carboxylic acid, 1,2,3,7-tetrahydro-2-(2-(diethylamino)ethyl)-8-methyl-, 1-methylethyl ester?
The molecular formula of Pyrrolo(3,2-f)(1,3)benzoxazine-9-carboxylic acid, 1,2,3,7-tetrahydro-2-(2-(diethylamino)ethyl)-8-methyl-, 1-methylethyl ester is C21H31N3O3.
What is the molecular weight of Pyrrolo(3,2-f)(1,3)benzoxazine-9-carboxylic acid, 1,2,3,7-tetrahydro-2-(2-(diethylamino)ethyl)-8-methyl-, 1-methylethyl ester?
The molecular weight of Pyrrolo(3,2-f)(1,3)benzoxazine-9-carboxylic acid, 1,2,3,7-tetrahydro-2-(2-(diethylamino)ethyl)-8-methyl-, 1-methylethyl ester is 373.23654 g/mol.
Where can I buy Pyrrolo(3,2-f)(1,3)benzoxazine-9-carboxylic acid, 1,2,3,7-tetrahydro-2-(2-(diethylamino)ethyl)-8-methyl-, 1-methylethyl ester?
You can request a quote for Pyrrolo(3,2-f)(1,3)benzoxazine-9-carboxylic acid, 1,2,3,7-tetrahydro-2-(2-(diethylamino)ethyl)-8-methyl-, 1-methylethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pyrrolo(3,2-f)(1,3)benzoxazine-9-carboxylic acid, 1,2,3,7-tetrahydro-2-(2-(diethylamino)ethyl)-8-methyl-, 1-methylethyl ester?
Yes, CoreyChem provides custom synthesis services for Pyrrolo(3,2-f)(1,3)benzoxazine-9-carboxylic acid, 1,2,3,7-tetrahydro-2-(2-(diethylamino)ethyl)-8-methyl-, 1-methylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.